(NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine

C14H19NO3 — CID 58492418

IUPAC(NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine
SMILESCCCOc1cc2c(cc1/C(C)=N/O)OCCC2
InChIInChI=1S/C14H19NO3/c1-3-6-17-14-8-11-5-4-7-18-13(11)9-12(14)10(2)15-16/h8-9,16H,3-7H2,1-2H3/b15-10+
InChIKeyULJFAROLZALTFY-XNTDXEJSSA-N
MW249.31 g/mol
LogP3.00
Rot. Bonds4

About (NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine

(NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine (PubChem CID 58492418) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine
PubChem CID58492418
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine
SMILESCCCOc1cc2c(cc1/C(C)=N/O)OCCC2
InChIInChI=1S/C14H19NO3/c1-3-6-17-14-8-11-5-4-7-18-13(11)9-12(14)10(2)15-16/h8-9,16H,3-7H2,1-2H3/b15-10+
InChIKeyULJFAROLZALTFY-XNTDXEJSSA-N
XLogP3.00
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine (CID 58492418) is (NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine is CCCOc1cc2c(cc1/C(C)=N/O)OCCC2.
What is the InChIKey of (NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine?
The InChIKey is ULJFAROLZALTFY-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-6-17-14-8-11-5-4-7-18-13(11)9-12(14)10(2)15-16/h8-9,16H,3-7H2,1-2H3/b15-10+.
What are the key properties of (NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine has a molecular weight of 249.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 58492418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).